COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.640   1.257   1.710  1.00  0.00           N  
HETATM    2  C   UNL     1       4.228   0.860   0.556  1.00  0.00           C  
HETATM    3  C   UNL     1       4.700  -0.055   1.513  1.00  0.00           C  
HETATM    4  C   UNL     1       6.155   2.088   0.807  1.00  0.00           C  
HETATM    5  C   UNL     1       2.754  -0.752   0.858  1.00  0.00           C  
HETATM    6  C   UNL     1       5.958   0.182   2.093  1.00  0.00           C  
HETATM    7  N   UNL     1       4.982   1.907   0.237  1.00  0.00           N  
HETATM    8  O   UNL     1      -1.772  -5.355   1.268  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.858  -5.007   0.114  1.00  0.00           C  
HETATM   10  CA  UNL     1      -2.747  -3.849  -0.259  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.817  -3.712   0.738  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.920  -2.563  -0.299  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.788  -1.414  -0.816  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.980  -0.189  -0.900  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.030  -0.261  -2.017  1.00  0.00           C  
HETATM   16  C   UNL     1       0.043   0.816  -1.844  1.00  0.00           C  
HETATM   17  O   UNL     1       0.745   0.612  -0.606  1.00  0.00           O  
HETATM   18  C   UNL     1       2.114   1.015  -0.826  1.00  0.00           C  
HETATM   19  C   UNL     1       2.424   0.483  -2.249  1.00  0.00           C  
HETATM   20  O   UNL     1       3.471   1.239  -2.859  1.00  0.00           O  
HETATM   21  C   UNL     1       1.077   0.714  -2.983  1.00  0.00           C  
HETATM   22  O   UNL     1       1.119   1.928  -3.736  1.00  0.00           O  
HETATM   23  N   UNL     1       3.000   0.394   0.162  1.00  0.00           N  
HETATM   24  N   UNL     1       3.753  -1.013   1.650  1.00  0.00           N  
HETATM   25  N   UNL     1       6.475  -0.685   3.040  1.00  0.00           N  
HETATM   26  OXT UNL     1      -1.161  -5.652  -0.835  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.836   0.999  -1.011  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.622   1.174   0.263  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.570   2.316   0.403  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.483   0.390   1.170  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.272   2.472   1.541  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.710   3.103  -0.508  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.177   3.605   1.607  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.880   3.618   2.965  1.00  0.00           C  
HETATM   35  H   UNL     1       6.742   2.950   0.525  1.00  0.00           H  
HETATM   36  H   UNL     1       1.862  -1.353   0.766  1.00  0.00           H  
HETATM   37  HA  UNL     1      -3.186  -4.029  -1.241  1.00  0.00           H  
HETATM   38  H1  UNL     1      -3.436  -3.544   1.657  1.00  0.00           H  
HETATM   39  H2  UNL     1      -4.464  -2.984   0.476  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.565  -2.327   0.705  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.066  -2.700  -0.963  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.171  -1.664  -1.805  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.622  -1.253  -0.133  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.559  -1.244  -2.032  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.560  -0.098  -2.956  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.418   1.803  -1.850  1.00  0.00           H  
HETATM   47  H   UNL     1       2.204   2.101  -0.792  1.00  0.00           H  
HETATM   48  H   UNL     1       2.676  -0.577  -2.221  1.00  0.00           H  
HETATM   49  H   UNL     1       3.701   0.944  -3.751  1.00  0.00           H  
HETATM   50  H   UNL     1       0.846  -0.131  -3.632  1.00  0.00           H  
HETATM   51  H   UNL     1       1.795   1.938  -4.427  1.00  0.00           H  
HETATM   52  H   UNL     1       7.345  -0.511   3.433  1.00  0.00           H  
HETATM   53  H   UNL     1       5.968  -1.466   3.311  1.00  0.00           H  
HETATM   54  HXT UNL     1      -0.605  -6.388  -0.548  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.216   1.880  -1.179  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.524   0.874  -1.848  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.612   4.529   1.482  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.920   3.524   0.813  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.137   3.699   3.759  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.560   4.469   3.015  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.446   2.694   3.090  1.00  0.00           H  
CONECT    1    4    4    6                                            
CONECT    2    7    7    3   23                                       
CONECT    3    6    6    2   24                                       
CONECT    4    1    1    7   35                                       
CONECT    5   23   24   24   36                                       
CONECT    6    1   25    3    3                                       
CONECT    7    4    2    2                                            
CONECT    8    9    9                                                 
CONECT    9    8    8   10   26                                       
CONECT   10   11    9   12   37                                       
CONECT   11   10   38   39                                            
CONECT   12   10   13   40   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   27                                            
CONECT   15   16   14   44   45                                       
CONECT   16   17   21   15   46                                       
CONECT   17   18   16                                                 
CONECT   18   23   17   19   47                                       
CONECT   19   20   18   21   48                                       
CONECT   20   19   49                                                 
CONECT   21   22   19   16   50                                       
CONECT   22   21   51                                                 
CONECT   23    2   18    5                                            
CONECT   24    3    5    5                                            
CONECT   25    6   52   53                                            
CONECT   26    9   54                                                 
CONECT   27   14   28   55   56                                       
CONECT   28   27   30   30   29                                       
CONECT   29   28   32   32   31                                       
CONECT   30   28   28                                                 
CONECT   31   29   33                                                 
CONECT   32   29   29                                                 
CONECT   33   31   34   57   58                                       
CONECT   34   33   59   60   61                                       
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
